| CAS Number | 1379315-43-1 |
| Catalog Number | AG01DVZ9 |
| Chemical Name | Ethyl 2-Bromo-4H-Pyrrolo[2,3-D]Thiazole-5-Carboxylate |
| IUPAC Name | ethyl 2-bromo-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate |
| InChI | InChI=1S/C8H7BrN2O2S/c1-2-13-7(12)4-3-5-6(10-4)11-8(9)14-5/h3,10H,2H2,1H3 |
| InChI Key | VDQOQPSKAASEBS-UHFFFAOYSA-N |
| MDL Number | MFCD19703339 |
| Molecular Formula | C8H7BrN2O2S |
| Molecular Weight | 275.1224 |
| SMILES | BrC=1SC2=C(N1)NC(=C2)C(=O)OCC |
| Synonyms | Ethyl 2-bromo-4H-pyrrolo[2,3-d]thiazole-5-carboxylate,
1379315-43-1,
SCHEMBL20745602,
AKOS027441309,
ZINC238293076,
FCH1361958,
AX8277054,
CS-0044164,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.12g/mol |
| Monoisotopic Mass | 273.941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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